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ScientificNameLabel
Chlorophyll a
PHCD compound ID : 1531
Chemical Names :
Chlorophyll a
Molecular Formula : C55H72Mg1N4O5
Molecular Weight : 892.535313
More Details :
Names & Synonyms:
Smiles: COC(=O)[C@@H]1/C/2=C\3/N=C([C@H]([C@@H]3CCC(=O)OC/C=C(\CCC[C@H](CCC[C@H](CCCC(C)C)C)C)/C)C)/C=c/3\[n-]/c(=C\C4=N/C(=C/c5[n-]c2c(C1=O)c5C)/C(=C4C)CC)/c(c3C)C=C.[Mg+2]
InChi : InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26-;/t32-,33-,37-,41-,51+;/m0./s1
InChi Key : InChIKey=ATNHDLDRLWWWCB-DOLYSQKOSA-M
PubChem ID : 12085802
Rotatable bond count : 22 Rule of five : 2
Hydrogen bond acceptor count : 9 Ionization potential : 7.764912
Hydrogen bond donor count : 0 Electric dipole moment : 12.567
XLogP : 11.274 VDW volume : 0
Molecular weight : 892.535313 HOMO-LUMO gap : 6.335000
Herb list :
Refrences & Litretures:
  
165.      Journal:'Journal of Chemistry'      Year:'2013'      Volume:''      Page:'126106'      DOI:'10.1155/2013/126106'      Title:'Chemical Composition of Iran’s Pistacia atlantica Cold-Pressed Oil'
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